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2AW.mol2
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@<TRIPOS>MOLECULE
2AW
46 45 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 OAC -9.3480 -0.0890 0.0360 o 1 2AW -0.750500
2 CAT -8.2550 0.4720 0.2600 c 1 2AW 0.716000
3 OAH -8.0880 1.5350 0.8910 o 1 2AW -0.750500
4 CAO -7.0090 -0.2170 -0.3240 c3 1 2AW -0.202400
5 CAM -5.6700 0.2810 0.1950 c3 1 2AW -0.056400
6 CAN -4.4930 -0.4620 -0.4270 c3 1 2AW -0.073400
7 CAP -3.1630 0.0260 0.1220 c3 1 2AW -0.138400
8 CAV -1.9690 -0.7100 -0.4220 c 1 2AW 0.597100
9 OAE -2.0050 -1.5840 -1.2520 o 1 2AW -0.505000
10 OAS -0.8440 -0.2780 0.1330 os 1 2AW -0.452100
11 CG1 0.3810 -0.8730 -0.2850 c3 1 2AW 0.184600
12 CB 1.5300 -0.1080 0.3620 c3 1 2AW 0.081300
13 CG2 1.5290 -0.2630 1.8780 c3 1 2AW -0.072100
14 SAX 1.3910 1.7250 0.0390 s4 1 2AW 0.399500
15 OAF 0.3390 2.2840 0.9200 o 1 2AW -0.524000
16 OAG 0.7890 1.6040 -1.4860 oh 1 2AW -0.602800
17 CA 2.8740 -0.5260 -0.2860 c3 1 2AW 0.030500
18 C 3.0000 -2.0820 -0.2970 c 1 2AW 0.723000
19 OXT 2.5820 -2.6430 -1.3270 o 1 2AW -0.709500
20 O 3.4810 -2.6220 0.7120 o 1 2AW -0.709500
21 N 3.9870 0.0890 0.4100 n7 1 2AW -0.824400
22 CAL 5.2630 -0.1480 -0.2330 c3 1 2AW 0.176800
23 CAK 6.3670 0.6080 0.5010 c3 1 2AW -0.212400
24 CAJ 7.7230 0.2240 0.0010 c 1 2AW 0.582900
25 OAB 8.6000 0.9960 -0.3020 o 1 2AW -0.556100
26 H2 -7.0920 -1.2960 -0.1580 hc 1 2AW 0.015200
27 H3 -7.0420 -0.0970 -1.4150 hc 1 2AW 0.015200
28 H4 -5.5710 1.3520 0.0000 hc 1 2AW 0.037200
29 H5 -5.6300 0.1680 1.2830 hc 1 2AW 0.037200
30 H6 -4.5990 -1.5340 -0.2380 hc 1 2AW 0.037200
31 H7 -4.5160 -0.3390 -1.5130 hc 1 2AW 0.037200
32 H8 -3.0270 1.0930 -0.0840 hc 1 2AW 0.069200
33 H9 -3.1450 -0.0610 1.2130 hc 1 2AW 0.069200
34 H10 0.4120 -1.9130 0.0490 h1 1 2AW 0.079200
35 H11 0.4650 -0.8720 -1.3710 h1 1 2AW 0.079200
36 H12 1.7680 -1.2960 2.1290 hc 1 2AW 0.048700
37 H13 2.2800 0.3640 2.3560 hc 1 2AW 0.048700
38 H14 0.5580 -0.0170 2.3030 hc 1 2AW 0.048700
39 H17 2.8320 -0.2150 -1.3440 h1 1 2AW 0.016700
40 H19 5.4830 -1.2170 -0.2000 h1 1 2AW 0.042700
41 H20 6.2330 1.6890 0.4340 hc 1 2AW 0.066200
42 H21 6.3260 0.3270 1.5600 hc 1 2AW 0.066200
43 H22 7.8890 -0.8680 -0.0650 h4 1 2AW -0.014800
44 H23 3.8490 1.0930 0.4530 hn 1 2AW 0.353000
45 H24 5.2660 0.1420 -1.2960 h1 1 2AW 0.042700
46 H15 1.2100 2.2800 -2.0360 ho 1 2AW 0.455000
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1
4 4 5 1
5 4 26 1
6 4 27 1
7 5 6 1
8 5 28 1
9 5 29 1
10 6 7 1
11 6 30 1
12 6 31 1
13 7 8 1
14 7 32 1
15 7 33 1
16 8 9 2
17 8 10 1
18 10 11 1
19 11 12 1
20 11 34 1
21 11 35 1
22 12 13 1
23 12 14 1
24 12 17 1
25 13 36 1
26 13 37 1
27 13 38 1
28 14 15 2
29 14 16 1
30 16 46 1
31 17 18 1
32 17 21 1
33 17 39 1
34 18 19 1
35 18 20 1
36 21 22 1
37 21 44 1
38 22 23 1
39 22 40 1
40 22 45 1
41 23 24 1
42 23 41 1
43 23 42 1
44 24 25 2
45 24 43 1
@<TRIPOS>SUBSTRUCTURE
1 2AW 1 TEMP 0 **** **** 0 ROOT